(2S)-2-(3,4-dimethylphenoxy)-N-(1-propylpiperidin-1-ium-4-yl)butanamide

Systemtic Name: (2S)-2-(3,4-dimethylphenoxy)-N-(1-propylpiperidin-1-ium-4-yl)butanamide Openeye Name: (2S)-2-(3,4-dimethylphenoxy)-N-(1-propylpiperidin-1-ium-4-yl)butanamide CAS Name: (2S)-2-(3,4-dimethylphenoxy)-N-(1-propyl-4-piperidin-1-iumyl)butanamide IUPAC Name: (2S)-2-(3,4-dimethylphenoxy)-N-(1-propylpiperidin-1-ium-4-yl)butanamide Traditional Name: (2S)-2-(3,4-dimethylphenoxy)-N-(1-propylpiperidin-1-ium-4-yl)butyramide Formula: C20H33N2O2+ MolecularWeight: 333.48822

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC(=O)C(CC)OC2=CC(=C(C=C2)C)C

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC(=O)[C@H](CC)OC2=CC(=C(C=C2)C)C

InChI

InChI=1S/C20H32N2O2/c1-5-11-22-12-9-17(10-13-22)21-20(23)19(6-2)24-18-8-7-15(3)16(4)14-18/h7-8,14,17,19H,5-6,9-13H2,1-4H3,(H,21,23)/p+1/t19-/m0/s1